4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide

C12H11BrN2O2S — CID 113429011

IUPAC4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCc1cncs1
InChIInChI=1S/C12H11BrN2O2S/c1-17-11-4-8(13)2-3-10(11)12(16)15-6-9-5-14-7-18-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyRFVAAHDWMWSDNK-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.84
Rot. Bonds4

About 4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide

4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide (PubChem CID 113429011) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide
PubChem CID113429011
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCc1cncs1
InChIInChI=1S/C12H11BrN2O2S/c1-17-11-4-8(13)2-3-10(11)12(16)15-6-9-5-14-7-18-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyRFVAAHDWMWSDNK-UHFFFAOYSA-N
XLogP2.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700612
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 115369253
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 78987486
2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 114194037
4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579063
4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide
CID 78987502
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 83121333

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide (CID 113429011) is 4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide is COc1cc(Br)ccc1C(=O)NCc1cncs1.
What is the InChIKey of 4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide?
The InChIKey is RFVAAHDWMWSDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-17-11-4-8(13)2-3-10(11)12(16)15-6-9-5-14-7-18-9/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide?
4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide has a molecular weight of 327.20 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide is sourced from PubChem (CID 113429011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).